5-fluoro-4-methoxy-N-[(3R)-pyrrolidin-3-yl]pyrimidin-2-amine

C9H13FN4O — CID 148939449

IUPAC5-fluoro-4-methoxy-N-[(3R)-pyrrolidin-3-yl]pyrimidin-2-amine
SMILESCOc1nc(N[C@@H]2CCNC2)ncc1F
InChIInChI=1S/C9H13FN4O/c1-15-8-7(10)5-12-9(14-8)13-6-2-3-11-4-6/h5-6,11H,2-4H2,1H3,(H,12,13,14)/t6-/m1/s1
InChIKeyPNPMSEGTCTXCFQ-ZCFIWIBFSA-N
MW212.23 g/mol
LogP0.40
Rot. Bonds3

About 5-fluoro-4-methoxy-N-[(3R)-pyrrolidin-3-yl]pyrimidin-2-amine

5-fluoro-4-methoxy-N-[(3R)-pyrrolidin-3-yl]pyrimidin-2-amine (PubChem CID 148939449) has the molecular formula C9H13FN4O and a molecular weight of 212.23 g/mol. Its IUPAC name is 5-fluoro-4-methoxy-N-[(3R)-pyrrolidin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-methoxy-N-[(3R)-pyrrolidin-3-yl]pyrimidin-2-amine
PubChem CID148939449
Molecular FormulaC9H13FN4O
Molecular Weight212.23 g/mol
Exact Mass212.11
IUPAC Name5-fluoro-4-methoxy-N-[(3R)-pyrrolidin-3-yl]pyrimidin-2-amine
SMILESCOc1nc(N[C@@H]2CCNC2)ncc1F
InChIInChI=1S/C9H13FN4O/c1-15-8-7(10)5-12-9(14-8)13-6-2-3-11-4-6/h5-6,11H,2-4H2,1H3,(H,12,13,14)/t6-/m1/s1
InChIKeyPNPMSEGTCTXCFQ-ZCFIWIBFSA-N
XLogP0.40
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.23
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methoxy-N-[(3R)-pyrrolidin-3-yl]pyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-methoxy-N-[(3R)-pyrrolidin-3-yl]pyrimidin-2-amine (CID 148939449) is 5-fluoro-4-methoxy-N-[(3R)-pyrrolidin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-methoxy-N-[(3R)-pyrrolidin-3-yl]pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-methoxy-N-[(3R)-pyrrolidin-3-yl]pyrimidin-2-amine is COc1nc(N[C@@H]2CCNC2)ncc1F.
What is the InChIKey of 5-fluoro-4-methoxy-N-[(3R)-pyrrolidin-3-yl]pyrimidin-2-amine?
The InChIKey is PNPMSEGTCTXCFQ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H13FN4O/c1-15-8-7(10)5-12-9(14-8)13-6-2-3-11-4-6/h5-6,11H,2-4H2,1H3,(H,12,13,14)/t6-/m1/s1.
What are the key properties of 5-fluoro-4-methoxy-N-[(3R)-pyrrolidin-3-yl]pyrimidin-2-amine?
5-fluoro-4-methoxy-N-[(3R)-pyrrolidin-3-yl]pyrimidin-2-amine has a molecular weight of 212.23 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methoxy-N-[(3R)-pyrrolidin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 148939449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).